SCHEMBL4017486

SCHEMBL4017486

C1=NCn2c1cc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
NOTUM Q6P988 1/20 0.33
SLC6A2 P23975 1/20 0.33
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.31
TERT O14746 1/20 0.31
DAO P14920 2/20 0.31
MCL1 Q07820 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29538429 1.00 HTR2A (0.39) HTR2AHTR2CNOTUMSLC6A2KMT2A
SCHEMBL30864980 0.85 HTR2A (0.40) HTR2AHTR2CNOTUMSLC6A2KMT2A
SCHEMBL3203395 0.72 HTR2A (0.35) HTR2AHTR2CNOTUM
SCHEMBL1383923 0.71 HTR2A (0.43) HTR2AHTR2CNOTUMKMT2ADAO
SCHEMBL2764410 0.67 HTR2A (0.51) HTR2AHTR2CNOTUMADRA2A
SCHEMBL1864062 0.67 HTR2A (0.40) HTR2AHTR2CNOTUMKMT2ADAO
SCHEMBL29851785 0.67 HTR2A (0.40) HTR2AHTR2CNOTUMKMT2ADAO
SCHEMBL14382337 0.66 HTR2A (0.45) HTR2AHTR2CNOTUMKMT2A
SCHEMBL3211491 0.63 HTR2A (0.37) HTR2AHTR2CNOTUMKMT2A
Hydroxyamine SCHEMBL9656520 0.63 HTR2A (0.37) HTR2AHTR2CNOTUMKMT2ADAO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US claimed
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2019-01-31 US disclosed
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
EP-1286998-B2 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2007-10-31 EP disclosed
US-7199143-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-04-03 US disclosed
US-7141583-B2 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1385844-B1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS ASTRAZENECA AB (SE) 2006-07-05 EP disclosed
WO-2002080841-A2 ANTIBACTERIAL OXAZOLIDINONES WITH A CYCLIC SULPHILIMINE OR SULPHOXIMINE ASTRAZENECA AB (SE) 2002-10-17 WO disclosed
WO-2002081468-A1 OXAZOLIDINONES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-10-17 WO disclosed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
US-6362191-B1 ANTIBIOTICS ZENECA LTD. (GB) 2002-03-26 US disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 WO disclosed
EP-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L HTR2A 2024/4885HTR2C 1085/4885NOTUM 1494/4885
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER IDO1, IDO2, TDO2 HTR2A 162/4885HTR2C 193/4885NOTUM 2065/4885
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 HTR2A 1690/4885HTR2C 279/4885NOTUM 1691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.